Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.9896   -0.1120    1.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398    0.7044    0.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.2443   -0.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    0.4015   -1.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -0.3873   -0.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8751   -0.8923   -0.2077 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -0.9870    1.8346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028    0.5215    2.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8420   -0.4203    0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4979    0.0598   -2.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9573    0.8674   -1.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers